Molecular modeling of geochemical reactions: an introduction
Molecular processes in nature affect human health, the availability of resources and the Earth's climate. Molecular modelling is a powerful and versatile toolbox that complements experimental data and provides insights where direct observation is not currently possible. Molecular Modeling of Ge...
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| Format: | Elektronisch E-Book |
| Sprache: | English |
| Veröffentlicht: |
Chichester, West Sussex, United Kingdom
Wiley
2016
|
| Schlagworte: | |
| Online-Zugang: | FRO01 UBG01 URL des Erstveröffentlichers |
| Zusammenfassung: | Molecular processes in nature affect human health, the availability of resources and the Earth's climate. Molecular modelling is a powerful and versatile toolbox that complements experimental data and provides insights where direct observation is not currently possible. Molecular Modeling of Geochemical Reactions: An Introduction applies computational chemistry to geochemical problems. Chapters focus on geochemical applications in aqueous, petroleum, organic, environmental, bio- and isotope geochemistry, covering the fundamental theory, practical guidance on applying techniques, and extensive literature reviews in numerous geochemical sub-disciplines. Topics covered include:- Theory and Methods of Computational Chemistry- Force Field Application and Development - Computational Spectroscopy - Thermodynamics- Structure Determination - Geochemical Kinetics This book will be of interest to graduate students and researchers looking to understand geochemical processes on a molecular level. Novice practitioners of molecular modelling, experienced computational chemists, and experimentalists seeking to understand this field will all find information and knowledge of use in their research |
| Beschreibung: | Introduction to the Theory and Methods of Computational Chemistry / David M Sherman -- Force Field Application and Development / Marco Molinari, Andrey V Brukhno, Stephen C Parker, Dino Spagnoli -- Quantum-Mechanical Modeling of Minerals / Alessandro Erba, Roberto Dovesi -- First Principles Estimation of Geochemically Important Transition Metal Oxide Properties / Ying Chen, Eric Bylaska, John Weare -- Computational Isotope Geochemistry / James R Rustad -- Organic and Contaminant Geochemistry / Daniel Tunega, Martin H Gerzabek, Georg Haberhauer, Hans Lischka, Adelia J A Aquino -- Petroleum Geochemistry / Qisheng Ma, Yongchun Tang -- Mineral-Water Interaction / Marie-Pierre Gaigeot, Marialore Sulpizi -- Biogeochemistry / Weilong Zhao, Zhijun Xu, Nita Sahai -- Vibrational Spectroscopy of Minerals Through Ab Initio Methods / Marco De La Pierre, Raffaella Demichelis, Roberto Dovesi -- Geochemical Kinetics via Computational Chemistry / James D Kubicki, Kevin M Rosso. - Includes bibliographical references and index |
| Beschreibung: | 1 online resource |
| ISBN: | 1118845161 1118845226 9781118845165 9781118845226 |
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| 520 | |a Molecular processes in nature affect human health, the availability of resources and the Earth's climate. Molecular modelling is a powerful and versatile toolbox that complements experimental data and provides insights where direct observation is not currently possible. Molecular Modeling of Geochemical Reactions: An Introduction applies computational chemistry to geochemical problems. Chapters focus on geochemical applications in aqueous, petroleum, organic, environmental, bio- and isotope geochemistry, covering the fundamental theory, practical guidance on applying techniques, and extensive literature reviews in numerous geochemical sub-disciplines. Topics covered include:- Theory and Methods of Computational Chemistry- Force Field Application and Development - Computational Spectroscopy - Thermodynamics- Structure Determination - Geochemical Kinetics This book will be of interest to graduate students and researchers looking to understand geochemical processes on a molecular level. Novice practitioners of molecular modelling, experienced computational chemists, and experimentalists seeking to understand this field will all find information and knowledge of use in their research | ||
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| 650 | 7 | |a Analytical geochemistry |2 fast | |
| 650 | 7 | |a Geochemical modeling |2 fast | |
| 650 | 7 | |a Molecules / Models |2 fast | |
| 650 | 7 | |a Science |2 fast | |
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| 650 | 4 | |a Geowissenschaften | |
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Datensatz im Suchindex
| _version_ | 1804176686839758848 |
|---|---|
| any_adam_object | |
| author2 | Kubicki, James D. |
| author2_role | edt |
| author2_variant | j d k jd jdk |
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| building | Verbundindex |
| bvnumber | BV043827130 |
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| dewey-full | 551.9 |
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| dewey-ones | 551 - Geology, hydrology, meteorology |
| dewey-raw | 551.9 |
| dewey-search | 551.9 |
| dewey-sort | 3551.9 |
| dewey-tens | 550 - Earth sciences |
| discipline | Geologie / Paläontologie |
| format | Electronic eBook |
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| spelling | Kubicki, James D. edt Molecular modeling of geochemical reactions an introduction edited by James D. Kubicki Chichester, West Sussex, United Kingdom Wiley 2016 1 online resource txt rdacontent c rdamedia cr rdacarrier Introduction to the Theory and Methods of Computational Chemistry / David M Sherman -- Force Field Application and Development / Marco Molinari, Andrey V Brukhno, Stephen C Parker, Dino Spagnoli -- Quantum-Mechanical Modeling of Minerals / Alessandro Erba, Roberto Dovesi -- First Principles Estimation of Geochemically Important Transition Metal Oxide Properties / Ying Chen, Eric Bylaska, John Weare -- Computational Isotope Geochemistry / James R Rustad -- Organic and Contaminant Geochemistry / Daniel Tunega, Martin H Gerzabek, Georg Haberhauer, Hans Lischka, Adelia J A Aquino -- Petroleum Geochemistry / Qisheng Ma, Yongchun Tang -- Mineral-Water Interaction / Marie-Pierre Gaigeot, Marialore Sulpizi -- Biogeochemistry / Weilong Zhao, Zhijun Xu, Nita Sahai -- Vibrational Spectroscopy of Minerals Through Ab Initio Methods / Marco De La Pierre, Raffaella Demichelis, Roberto Dovesi -- Geochemical Kinetics via Computational Chemistry / James D Kubicki, Kevin M Rosso. - Includes bibliographical references and index Molecular processes in nature affect human health, the availability of resources and the Earth's climate. Molecular modelling is a powerful and versatile toolbox that complements experimental data and provides insights where direct observation is not currently possible. Molecular Modeling of Geochemical Reactions: An Introduction applies computational chemistry to geochemical problems. Chapters focus on geochemical applications in aqueous, petroleum, organic, environmental, bio- and isotope geochemistry, covering the fundamental theory, practical guidance on applying techniques, and extensive literature reviews in numerous geochemical sub-disciplines. Topics covered include:- Theory and Methods of Computational Chemistry- Force Field Application and Development - Computational Spectroscopy - Thermodynamics- Structure Determination - Geochemical Kinetics This book will be of interest to graduate students and researchers looking to understand geochemical processes on a molecular level. Novice practitioners of molecular modelling, experienced computational chemists, and experimentalists seeking to understand this field will all find information and knowledge of use in their research SCIENCE / Chemistry / Organic bisacsh SCIENCE / Earth Sciences / Geography bisacsh SCIENCE / Earth Sciences / Geology bisacsh Analytical geochemistry fast Geochemical modeling fast Molecules / Models fast Science fast Chemie Geografie Geologie Geowissenschaften Naturwissenschaft Analytical geochemistry Geochemical modeling Molecules / Models Science Erscheint auch als Druckausgabe 978-1-118-84508-0 https://onlinelibrary.wiley.com/doi/book/10.1002/9781118845226 Verlag URL des Erstveröffentlichers Volltext |
| spellingShingle | Molecular modeling of geochemical reactions an introduction SCIENCE / Chemistry / Organic bisacsh SCIENCE / Earth Sciences / Geography bisacsh SCIENCE / Earth Sciences / Geology bisacsh Analytical geochemistry fast Geochemical modeling fast Molecules / Models fast Science fast Chemie Geografie Geologie Geowissenschaften Naturwissenschaft Analytical geochemistry Geochemical modeling Molecules / Models Science |
| title | Molecular modeling of geochemical reactions an introduction |
| title_auth | Molecular modeling of geochemical reactions an introduction |
| title_exact_search | Molecular modeling of geochemical reactions an introduction |
| title_full | Molecular modeling of geochemical reactions an introduction edited by James D. Kubicki |
| title_fullStr | Molecular modeling of geochemical reactions an introduction edited by James D. Kubicki |
| title_full_unstemmed | Molecular modeling of geochemical reactions an introduction edited by James D. Kubicki |
| title_short | Molecular modeling of geochemical reactions |
| title_sort | molecular modeling of geochemical reactions an introduction |
| title_sub | an introduction |
| topic | SCIENCE / Chemistry / Organic bisacsh SCIENCE / Earth Sciences / Geography bisacsh SCIENCE / Earth Sciences / Geology bisacsh Analytical geochemistry fast Geochemical modeling fast Molecules / Models fast Science fast Chemie Geografie Geologie Geowissenschaften Naturwissenschaft Analytical geochemistry Geochemical modeling Molecules / Models Science |
| topic_facet | SCIENCE / Chemistry / Organic SCIENCE / Earth Sciences / Geography SCIENCE / Earth Sciences / Geology Analytical geochemistry Geochemical modeling Molecules / Models Science Chemie Geografie Geologie Geowissenschaften Naturwissenschaft |
| url | https://onlinelibrary.wiley.com/doi/book/10.1002/9781118845226 |
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